Vitas-M small molecule compound

4-methoxy-6-methyl-5-[3-(4-nitrophenoxy)prop-1-yn-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline

Catalog ID
STL536658
SMILES COc1c2c(CCN(C2C#CCOc2ccc(cc2)[N+](=O)[O-])C)cc2c1OCO2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-22-10-9-14-12-18-20(29-13-28-18)21(26-2)19(14)17(22)4-3-11-27-16-7-5-15(6-8-16)23(24)25/h5-8,12,17H,9-11,13H2,1-2H3
InChIKey
IKDXAAGIXLSOHZ-UHFFFAOYSA-N
Synonyms
708296-16-6
3751858
4methoxy6methyl5(3(4nitrophenoxy)prop1yn1yl)5678tetrahydro(13)dioxolo(45g)isoquinoline
4methoxy6methyl5(3(4nitrophenoxy)prop1ynyl)78dihydro5~(H)(13)dioxolo(45g)isoquinoline
4METHOXY6METHYL5(3(4NITROPHENOXY)PROP1YNYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLINE
708296166
COc1c2c(CCN(C2C#CCOc2ccc(cc2)(N+)(=O)(O))C)cc2c1OCO2
InChI=1SC21H20N2O6c12210914121820(29132818)21(262)19(14)17(22)431127167515(6816)23(24)25h581217H91113H212H3
MFCD03006234
ZINC000020412141
ZINC000020412144

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Available files

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